Re: Using old seward integrals in a calculation


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Posted by Reece on February 16, 2015 at 16:11:58:

In Reply to: Re: Using old seward integrals in a calculation posted by Valera on February 16, 2015 at 12:28:38:


: : When I run in the same directory but with no Seward step in the input I get the message - Two-electron integral file was not found!.

: So, how did you set up WorkDir? Are you sure that it is not destroyed after the calculation has been finished? Look at the beginning of output file (just below the logo) to see the settings of your environment.

I believe, and I may be wrong, that the problem is that I am using the Cholesky Keyword and so it is not producing a .OrdInt file, is there anyway to make it read the .ChVec files?


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if B is 1s22s22p1, what is Li?

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